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[资源] 【共享】计算化学

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Classical Mechanics and the Time  
Independent Schrödinger Equation   LECTURE-1
The Time Independent Schrödinger Equation and the Born Interpretation  LECTURE-2
The Free Particle   LECTURE-4
Operators  and Eigen Value Equations   LECTURE-5
Operators and Quantum Mechanics  LECTURE-6
Expectation Values LECTURE-7
Hermetian Operators and the Uncertainty Principle  LECTURE-8
Particle in a Box - I  LECTURE-9
Particle in a Box - II  LECTURE-10
Harmonic Oscillator-I  LECTURE-11
Angular Momentum-I  LECTURE-13
Angular Momentum-II  LECTURE-14
  Angular Momentum-III  LECTURE-15
Introduction to the Hydrogen Atom  LECTURE-16
Energy Levels of Hydrogen Atom  LECTURE-17
Orbitals of Hydrogen Atom  LECTURE-18
The Many Electron Atom  LECTURE-19
Spectra of Complex Atoms  LECTURE-20
Term Synbols -I LECTURE-21
Term Synbols -II  and the Born Oppenheimer Approximation LECTURE-22
Introduction to Valence Bond Theory LECTURE-23
Applications of  Valence Bond Theory LECTURE-24
Introduction to Molecular Orbital Theory  LECTURE-25
Homonuclear Diatomic Molecules-I LECTURE-26
Homonuclear Diatomic Molecules-II LECTURE-27
Heteronuclear Diatomic Molecules LECTURE-28
The Variation Theorem LECTURE-29
Linear Variation Theory LECTURE-30
Polyatomic Molecules LECTURE-31
The Huckel method  Huckel program LECTURE-32

Practical Tool in Molecular Science  LECTURE-33
Symmetry Elements LECTURE-34
Symmetry Groups LECTURE-35
Character Tables
Symmetry orbitals  
Selection rules
http://www.cobalt.chem.ucalgary. ... hm373/lectures.html

[ Last edited by zxzj05 on 2009-3-10 at 10:52 ]
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madonion

金虫 (正式写手)


★★★★★ 五星级,优秀推荐

不错,支持一下,很适合基础不好的人。俺上学期刚上完物化,用的就是Atkins这本,印象深刻阿
2楼2009-03-09 21:25:49
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看后请给予支持和评价!
谢谢!
3楼2009-03-10 10:48:35
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dcbb0217

银虫 (初入文坛)


★★★ 三星级,支持鼓励

楼主的帖名 叫 计算化学, 当年我写论文, 有一句  随着计算化学的发展,  被导师
批改成 随着计算物理的发展
5楼2009-03-30 12:24:32
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简单回复
zdhlover4楼
2009-03-13 19:52   回复  
 
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